N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide

C8H18F2N2O2S — CID 62009249

IUPACN-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-4-8(5-2,6-11)12(3)15(13,14)7(9)10/h7H,4-6,11H2,1-3H3
InChIKeyZJBSMFWSJBRBFY-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.99
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 62009249) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID62009249
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-4-8(5-2,6-11)12(3)15(13,14)7(9)10/h7H,4-6,11H2,1-3H3
InChIKeyZJBSMFWSJBRBFY-UHFFFAOYSA-N
XLogP0.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
CID 61124575
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62007814
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62008225
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62008455
N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62008632
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62008850
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62009005
N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62009022
N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62009223
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide
CID 62009650
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide
CID 62010046
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 62010049

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide (CID 62009249) is N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide is CCC(CC)(CN)N(C)S(=O)(=O)C(F)F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is ZJBSMFWSJBRBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-4-8(5-2,6-11)12(3)15(13,14)7(9)10/h7H,4-6,11H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 244.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 62009249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).